2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid

C14H22N4O2 — CID 107553233

IUPAC2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
SMILESCC1CCCCN1CCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C14H22N4O2/c1-11-5-2-3-9-18(11)10-4-7-15-14-16-8-6-12(17-14)13(19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyOTUHXJMNLTWXMT-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.85
Rot. Bonds6

About 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid

2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid (PubChem CID 107553233) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
PubChem CID107553233
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid
SMILESCC1CCCCN1CCCNc1nccc(C(=O)O)n1
InChIInChI=1S/C14H22N4O2/c1-11-5-2-3-9-18(11)10-4-7-15-14-16-8-6-12(17-14)13(19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyOTUHXJMNLTWXMT-UHFFFAOYSA-N
XLogP1.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N,4-N-dimethyl-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 133383415
4-ethoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidin-2-amine
CID 115974404
2-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-4-carboxylic acid
CID 43176732
4-N-(3-methylbutyl)-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyrimidine-2,4-diamine
CID 154463494
2-chloro-6-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 62710949
2-[3-(methanesulfonamido)propylamino]pyrimidine-4-carboxylic acid
CID 106342754
6-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]pyridine-3-carboxylic acid
CID 81229069
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
2-[3-(2-methoxyethoxy)propylamino]pyrimidine-4-carboxylic acid
CID 114098769
5,6-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-triazin-3-amine
CID 114448150
2-methyl-4-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 81273437
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid (CID 107553233) is 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid is CC1CCCCN1CCCNc1nccc(C(=O)O)n1.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid?
The InChIKey is OTUHXJMNLTWXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-5-2-3-9-18(11)10-4-7-15-14-16-8-6-12(17-14)13(19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid?
2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid has a molecular weight of 278.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)propylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).